6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

C81H77BrF9N29O3 — CID 158733240

About 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 158733240) has the molecular formula C81H77BrF9N29O3 and a molecular weight of 1755.59 g/mol. Its IUPAC name is 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• PubChem CID: 158733240
• Molecular Formula: C81H77BrF9N29O3
• Molecular Weight: 1755.59 g/mol
• Exact Mass: 1753.58
• IUPAC Name: 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• SMILES: CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1nccc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1
• InChI: InChI=1S/2C21H20F3N7O.C20H18F3N7O.C19H19BrN8/c2*1-12-10-30(13(2)19(32-12)14-3-5-25-7-14)17-4-6-26-20(29-17)15-8-28-18-9-27-16(11-31(15)18)21(22,23)24;1-12-18(13-2-4-24-8-13)31-7-6-29(12)19-25-5-3-14(28-19)15-9-27-17-10-26-16(11-30(15)17)20(21,22)23;1-12-18(13-2-4-21-8-13)22-6-7-27(12)16-3-5-23-19(26-16)14-9-25-17-10-24-15(20)11-28(14)17/h2*3-4,6-9,11-13,19H,5,10H2,1-2H3;2-3,5,8-12,18H,4,6-7H2,1H3;2-3,5,8-12,18,22H,4,6-7H2,1H3
• InChIKey: ILIXRUKOZJNYFX-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 326.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.59
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The IUPAC name of 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (CID 158733240) is 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The canonical SMILES for 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1nccc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)O1.

What is the InChIKey of 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The InChIKey is ILIXRUKOZJNYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20F3N7O.C20H18F3N7O.C19H19BrN8/c2*1-12-10-30(13(2)19(32-12)14-3-5-25-7-14)17-4-6-26-20(29-17)15-8-28-18-9-27-16(11-31(15)18)21(22,23)24;1-12-18(13-2-4-24-8-13)31-7-6-29(12)19-25-5-3-14(28-19)15-9-27-17-10-26-16(11-30(15)17)20(21,22)23;1-12-18(13-2-4-21-8-13)22-6-7-27(12)16-3-5-23-19(26-16)14-9-25-17-10-24-15(20)11-28(14)17/h2*3-4,6-9,11-13,19H,5,10H2,1-2H3;2-3,5,8-12,18H,4,6-7H2,1H3;2-3,5,8-12,18,22H,4,6-7H2,1H3.

What are the key properties of 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1755.59 g/mol, XLogP of 11.33, 12 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3,6-dimethyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).